Spektraris NMR
2b,3a-Diacetoxy-11b,14a-dihydroxy-1(15),8(19)-trinervitadiene
Common Name: 2b,3a-Diacetoxy-11b,14a-dihydroxy-1(15),8(19)-trinervitadiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-12-7-8-18(27)13(2)11-19(28)20-14(3)21-17(12)9-10-24(21,6)23(30-16(5)26)22(20)29-15(4)25/h13,17-19,21-23,27-28H,1,7-11H2,2-6H3/t13-,17+,18+,19+,21-,22-,23+,24+/m1/s1
InChIKey: InChIKey=OSPQDQWXSIAPRT-FADUIXGRSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laurent, P., Daloze, D., Pasteels, J.M., Braekman, J.C. J Nat Prod (2005) 68, 532-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trinervitanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 130.2 |
| 2 (CH) | 73 |
| 3 (CH) | 72.6 |
| 4 (C) | 46.4 |
| 5 (CH2) | 36.5 |
| 6 (CH2) | 30.4 |
| 7 (CH) | 52.8 |
| 8 (C) | 151.6 |
| 9 (CH2) | 25 |
| 10 (CH2) | 31.9 |
| 11 (CH) | 78 |
| 12 (CH) | 28.9 |
| 13 (CH2) | 37.1 |
| 14 (CH) | 68.1 |
| 15 (C) | 138.2 |
| 16 (CH) | 58 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 21.2 |
| 19 (CH2) | 113.6 |
| 20 (CH3) | 19.8 |
| 2a (C) | 171 |
| 2b (CH3) | 21.3 |
| 3a (C) | 171 |
| 3b (CH3) | 21 |
